5,7-diphenyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
Chemical Structure Depiction of
5,7-diphenyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
5,7-diphenyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
Compound characteristics
| Compound ID: | 1496-0434 |
| Compound Name: | 5,7-diphenyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate |
| Molecular Weight: | 321.42 |
| Molecular Formula: | C17 H11 N3 S2 |
| Smiles: | c1ccc(cc1)c1cc(c2ccccc2)[n+]2c(n1)sc(n2)[S-] |
| Stereo: | ACHIRAL |
| logP: | 5.0065 |
| logD: | 5.0065 |
| logSw: | -5.0148 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 17.503 |
| InChI Key: | IUMVFKYNVOFCDY-UHFFFAOYSA-N |